N'-anilino-2-(2-phenylhydrazinyl)-2-sulfanylideneethanimidamide
Formula:C14H15N5S
Mutagenic:low
Tumorigenic:high
Reproductive Effective:low
N'-anilino-2-(2-phenylhydrazinyl)-2-sulfanylideneethanimidamide is a drug-like molecule.
| MolName | N'-anilino-2-(2-phenylhydrazinyl)-2-sulfanylideneethanimidamide |
| MolecularFormula | C14H15N5S |
| Smiles | N/C(/C(NNc1ccccc1)=S)=N/Nc1ccccc1 |
| InChI | InChI=1S/C14H15N5S/c15-13(18-16-11-7-3-1-4-8-11)14(20)19-17-12-9-5-2-6-10-12/h1-10,16-17H,(H2,15,18)(H,19,20) |
| InChIK | JDRZNICJUFEHHZ-UHFFFAOYSA-N |
| TotalMolweight | 285.374 |
| Molweight | 285.374 |
| MonoisotopicMass | 285.104815 |
| CLogP | 3.86 |
| CLogS | -3.265 |
| H Acceptors | 5 |
| H Donors | 4 |
| TotalSurfaceArea | 231.6 |
| Relative PSA | 0.38497 |
| PolarSurfaceArea | 106.56 |
| Druglikeness | 1.195 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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